MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02247722

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.78
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.77
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.88
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.8
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.74
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.78
FLP	FLURBIPROFEN	A,B	1CQE	0.78
FLP	FLURBIPROFEN	A,B	1EQH	0.78
FLP	FLURBIPROFEN	A,B	2AYL	0.78
FLP	FLURBIPROFEN	A	1DVT	0.78
FLP	FLURBIPROFEN	A	1R9O	0.78
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.77
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.72
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.72
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.71
BFL		A,B	1Q4G	0.8
EQU	EQUILENIN	A,B	1OGX	0.72
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.72
EQU	EQUILENIN	A,B	1OH0	0.72
EQU	EQUILENIN	A	1W6Y	0.72
EQU	EQUILENIN	A,B	1CQS	0.72
EQU	EQUILENIN	A	1OGZ	0.72
EQU	EQUILENIN	A	1GS3	0.72
EQU	EQUILENIN	A	1OHO	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.77
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.77
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.77
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.78
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.71
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.72
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.75
OX1		H,Y	1LO2	0.76
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.75
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.78
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.87
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.87
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.72
4FC		A	1YSG	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.79
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.74
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.74
PAC	2-PHENYLACETIC ACID	B	1FXH	0.74
PAC	2-PHENYLACETIC ACID	A	2ISF	0.74
PAC	2-PHENYLACETIC ACID	A	2INE	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.76
HCI	HYDROCINNAMIC ACID	A	1TOI	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.76
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.78
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.78
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.78
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.86
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.86
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.76
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.76
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.76
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.76
791	2-PHENYLMALONIC ACID	A	1O4P	0.82
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.79
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.76
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.77
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.72
TRZ	TRAZEOLIDE	A	1C12	0.75